8-(4-fluoranylphenoxy)-1,3-dimethyl-7-[(4-methylphenyl)methyl]purine-2,6-dione

Systemtic Name: 8-(4-fluoranylphenoxy)-1,3-dimethyl-7-[(4-methylphenyl)methyl]purine-2,6-dione Openeye Name: 8-(4-fluorophenoxy)-1,3-dimethyl-7-(p-tolylmethyl)purine-2,6-dione CAS Name: 8-(4-fluorophenoxy)-1,3-dimethyl-7-[(4-methylphenyl)methyl]purine-2,6-dione IUPAC Name: 8-(4-fluorophenoxy)-1,3-dimethyl-7-[(4-methylphenyl)methyl]purine-2,6-dione Traditional Name: 8-(4-fluorophenoxy)-1,3-dimethyl-7-(4-methylbenzyl)xanthine Formula: C21H19FN4O3 MolecularWeight: 394.398963

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2C3=C(N=C2OC4=CC=C(C=C4)F)N(C(=O)N(C3=O)C)C

Isomeric SMILES

CC1=CC=C(C=C1)CN2C3=C(N=C2OC4=CC=C(C=C4)F)N(C(=O)N(C3=O)C)C

InChI

InChI=1S/C21H19FN4O3/c1-13-4-6-14(7-5-13)12-26-17-18(24(2)21(28)25(3)19(17)27)23-20(26)29-16-10-8-15(22)9-11-16/h4-11H,12H2,1-3H3